44405122
  -OEChem-05082407542D

 32 34  0     1  0  0  0  0  0999 V2000
    2.0000   -2.1353    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3165    2.0596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    0.7253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9698    1.5435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    0.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3717   -0.8136    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6962    0.3697    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0567   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3991   -0.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0772   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3717   -0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0627    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9942    1.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6868   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473    0.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663   -1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3444   -0.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8050    0.7449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1152   -1.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3014    0.5045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5267   -1.9201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2830   -2.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9473   -0.6886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7783    0.0916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0957   -2.0093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910   -1.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    1.3453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852   -2.1857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8626    0.9616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384   -0.2677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1546    2.1353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3900    1.0876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 27  1  0  0  0  0
  4 13  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 20  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44405122

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
323

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBAAAAHgIQAAAADSrBmCQwwILAAACIAiVSUACCAAAhBwAIiIEIZogIIDrB05GEIAhgkADIyAcYiMCOgABAIAACAAAAAIRAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-2,3,4,4a,9,9a-hexahydro-1H-carbazole-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-2,3,4,4a,9,9a-hexahydro-1H-carbazole-1-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-2,3,4,4<I>a</I>,9,9<I>a</I>-hexahydro-1<I>H</I>-carbazole-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
6-chloro-2,3,4,4a,9,9a-hexahydro-1H-carbazole-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-2,3,4,4a,9,9a-hexahydro-1H-carbazole-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-2,3,4,4a,9,9a-hexahydro-1H-carbazole-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H15ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,8-9,12,16H,1-3H2,(H2,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
NYORQUCSPQVLTE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
250.0872908

> <PUBCHEM_MOLECULAR_FORMULA>
C13H15ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
250.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2C(C(C1)C(=O)N)NC3=C2C=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2C(C(C1)C(=O)N)NC3=C2C=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
250.0872908

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  14  8
12  15  8
14  16  8
15  17  8
16  17  8
5  3  3
6  8  3
7  13  3

$$$$